Violanthin

Base Information

• Chemical Name: Violanthin
• CAS No.: 40581-17-7
• Molecular Formula: C27H30O14
• Molecular Weight: 578.5187
• DSSTox Substance ID: DTXSID10904828
• Nikkaji Number: J19.194I
• Wikidata: Q27108548
• Metabolomics Workbench ID: 69402
• Mol file: 40581-17-7.mol

Synonyms:Violanthin;40581-17-7;5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one;C10196;5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy -6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-me thyl-oxan-2-yl]chromen-4-one;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-8-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)-4H-chromen-4-one;AC1L9D6N;SureCN993603;SCHEMBL993603;CHEBI:9992;DTXSID10904828;MolPort-021-804-723;HY-N6895;Violanthin, >=95% (LC/MS-UV);AKOS040740531;MS-30395;6-C-GLUCOSYL-8-C-RHAMNOSYLAPIGENIN;CS-0100507;E87181;Q27108548;5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]chromen-4-one

Chemical Property of Violanthin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 925.3°Cat760mmHg
• Flash Point: 308.4°C
• PSA: 250.97000
• Density: 1.703g/cm³
• LogP: -1.36580
• Storage Temp.: -20°C
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 578.16355563
• Heavy Atom Count: 41
• Complexity: 970

Purity/Quality:

98%,99%, ^*data from raw suppliers

Violanthin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O